5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole

C23H24N4OS — CID 11531536

IUPAC5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)no1
InChIInChI=1S/C23H24N4OS/c1-15-4-3-10-27(15)11-9-17-5-7-19-18(13-17)6-8-20(24-19)22-14-29-23(25-22)21-12-16(2)28-26-21/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeyYEXIBZKBLZVZSI-OAHLLOKOSA-N
MW404.54 g/mol
LogP5.35
Rot. Bonds5

About 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole

5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 11531536) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID11531536
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)no1
InChIInChI=1S/C23H24N4OS/c1-15-4-3-10-27(15)11-9-17-5-7-19-18(13-17)6-8-20(24-19)22-14-29-23(25-22)21-12-16(2)28-26-21/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeyYEXIBZKBLZVZSI-OAHLLOKOSA-N
XLogP5.35
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole (CID 11531536) is 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole is Cc1cc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)no1.
What is the InChIKey of 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is YEXIBZKBLZVZSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-15-4-3-10-27(15)11-9-17-5-7-19-18(13-17)6-8-20(24-19)22-14-29-23(25-22)21-12-16(2)28-26-21/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 404.54 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 11531536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).